2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine

C13H21ClN2O — CID 112607689

IUPAC2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(Cl)cccc1CN
InChIInChI=1S/C13H21ClN2O/c1-3-16(4-2)8-9-17-13-11(10-15)6-5-7-12(13)14/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyJBFPCNCKKPMPGZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine

2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine (PubChem CID 112607689) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
PubChem CID112607689
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1c(Cl)cccc1CN
InChIInChI=1S/C13H21ClN2O/c1-3-16(4-2)8-9-17-13-11(10-15)6-5-7-12(13)14/h5-7H,3-4,8-10,15H2,1-2H3
InChIKeyJBFPCNCKKPMPGZ-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866
methyl 4-[2-(aminomethyl)-6-chlorophenoxy]butanoate
CID 112607571
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
CID 112607618
1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
CID 112607693
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine (CID 112607689) is 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1c(Cl)cccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine?
The InChIKey is JBFPCNCKKPMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-3-16(4-2)8-9-17-13-11(10-15)6-5-7-12(13)14/h5-7H,3-4,8-10,15H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine?
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine has a molecular weight of 256.78 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 112607689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).